(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone

C13H13NO2S — CID 67798385

IUPAC(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone
SMILESCCS(=O)c1cccn1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO2S/c1-2-17(16)12-9-6-10-14(12)13(15)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyWYCZLABCHKJJGI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.30
Rot. Bonds3

About (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone

(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone (PubChem CID 67798385) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone
PubChem CID67798385
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone
SMILESCCS(=O)c1cccn1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO2S/c1-2-17(16)12-9-6-10-14(12)13(15)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyWYCZLABCHKJJGI-UHFFFAOYSA-N
XLogP2.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2-propylpyrrol-1-yl)methanone
CID 174664975
(1-ethylpyrrol-2-yl)-phenylmethanone
CID 23048985
ethylsulfinylbenzene;palladium
CID 174712422
(3-ethylpyrrol-1-yl)-phenylmethanone
CID 15892540
2-[1-(4-methylbenzoyl)pyrrol-2-yl]acetic acid;dihydrate
CID 141236933
1-phenylbutan-1-one
CID 10315
1-phenyl(111C)propan-1-one
CID 11159350
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
1-(2-ethylazonin-1-yl)ethanone
CID 174323283
1-phenylbutan-1-one;hydrobromide
CID 139638507
diphenylmethanone;propanal
CID 159329764
diphenylmethanone;propan-1-amine
CID 174497329

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone?
The IUPAC name of (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone (CID 67798385) is (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone.
What is the SMILES notation for (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone?
The canonical SMILES for (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone is CCS(=O)c1cccn1C(=O)c1ccccc1.
What is the InChIKey of (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone?
The InChIKey is WYCZLABCHKJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-2-17(16)12-9-6-10-14(12)13(15)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone?
(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone has a molecular weight of 247.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfinylpyrrol-1-yl)-phenylmethanone is sourced from PubChem (CID 67798385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).